[(6-azanyl-9-phenethyl-purin-8-yl)carbonylamino]methylphosphonic acid

Systemtic Name: [(6-azanyl-9-phenethyl-purin-8-yl)carbonylamino]methylphosphonic acid Openeye Name: [(6-amino-9-phenethyl-purine-8-carbonyl)amino]methylphosphonic acid CAS Name: [[(6-amino-9-phenethyl-8-purinyl)-oxomethyl]amino]methylphosphonic acid IUPAC Name: [(6-amino-9-phenethylpurine-8-carbonyl)amino]methylphosphonic acid Traditional Name: [(6-amino-9-phenethyl-purine-8-carbonyl)amino]methylphosphonic acid Formula: C15H17N6O4P MolecularWeight: 376.307041

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=C(C(=NC=N3)N)N=C2C(=O)NCP(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=C(C(=NC=N3)N)N=C2C(=O)NCP(=O)(O)O

InChI

InChI=1S/C15H17N6O4P/c16-12-11-13(18-8-17-12)21(7-6-10-4-2-1-3-5-10)14(20-11)15(22)19-9-26(23,24)25/h1-5,8H,6-7,9H2,(H,19,22)(H2,16,17,18)(H2,23,24,25)